# generated using pymatgen
data_LiNiOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95292200
_cell_length_b   2.95292200
_cell_length_c   12.63850200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNiOF
_chemical_formula_sum   'Li3 Ni3 O3 F3'
_cell_volume   110.20455681
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.50000000  0.50000000  0.66574300  1
  Li  Li1  1  0.50000000  0.50000000  0.33425700  1
  Li  Li2  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni3  1  0.00000000  0.00000000  0.83368200  1
  Ni  Ni4  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni5  1  0.00000000  0.00000000  0.16631800  1
  O  O6  1  0.50000000  0.50000000  0.83106600  1
  O  O7  1  0.00000000  0.00000000  0.00000000  1
  O  O8  1  0.50000000  0.50000000  0.16893400  1
  F  F9  1  0.00000000  0.00000000  0.66067000  1
  F  F10  1  0.00000000  0.00000000  0.33933000  1
  F  F11  1  0.50000000  0.50000000  0.50000000  1
